Viewing Compound With Structures

Home Icon Home Search Icon Search Certify Doc Icon Certify Doc Certify Doc Icon Genes Certify Doc Icon Clinical Trials Certify Doc Icon CompTox Processes Icon DrugMatrix Open Targets Icon Open Targets Processes Icon Products Support Icon Support Bugs Icon Bugs
Gene Compound Experiment Study Pathway Assay Report Bug Request Feature

Compound Report Overview

Compound Name: NIFEKALANT
Compound Identifier: 704607
Mol Structure 2D: 704607
Molecular Weight: 405
Formula: C19 H27 N5 O5
Development Status: Launched outside US, not approved by FDA
SMILES: Cn1c(NCCN(CCO)CCCc2ccc(cc2)[N+](=O)[O-])cc(=O)n(C)c1=O
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222172D 0 0.00000 0.00000 0^^ 29 30 0 0 0 999 V2000^ 6.4749 0.0120 0.0000 C 0 0 0 0 0 0 0 0 0^ 7.1992 0.4335 0.0000 N 0 0 3 0 0 0 0 0 0^ 6.4749 -0.7849 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.7753 0.4335 0.0000 N 0 0 0 0 0 0 0 0 0^ 7.8919 0.0120 0.0000 C 0 0 0 0 0 0 0 0 0^ 7.1992 1.2414 0.0000 C 0 0 0 0 0 0 0 0 0^ 7.1992 -1.2065 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.0509 0.0120 0.0000 C 0 0 0 0 0 0 0 0 0^ 7.8919 -0.8201 0.0000 N 0 0 3 0 0 0 0 0 0^ 8.6198 0.3983 0.0000 O 0 0 0 0 0 0 0 0 0^ 7.1992 -2.0143 0.0000 O 0 0 0 0 0 0 0 0 0^ 4.3237 0.4335 0.0000 C 0 0 0 0 0 0 0 0 0^ 8.5674 -1.2589 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.5682 0.0120 0.0000 N 0 0 3 0 0 0 0 0 0^ 2.8783 0.4335 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.5682 -0.7608 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.1159 -0.0156 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.2850 -1.2065 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.4060 0.4335 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.0509 -0.7608 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.7134 0.0120 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.0027 0.4335 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.7134 -0.8201 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.7320 0.0120 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.0027 -1.2237 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.7320 -0.8201 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.4419 -1.2341 0.0000 N 0 3 0 0 0 0 0 0 0^ -1.4419 -2.0626 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.1629 -0.8201 0.0000 O 0 5 0 0 0 0 0 0 0^ 16 18 1 0 0 0^ 17 19 1 0 0 0^ 18 20 1 0 0 0^ 19 21 1 0 0 0^ 21 22 1 0 0 0^ 21 23 2 0 0 0^ 22 24 2 0 0 0^ 23 25 1 0 0 0^ 24 26 1 0 0 0^ 26 27 1 0 0 0^ 7 9 1 0 0 0^ 25 26 2 0 0 0^ 1 2 1 0 0 0^ 1 3 2 0 0 0^ 1 4 1 0 0 0^ 2 5 1 0 0 0^ 2 6 1 0 0 0^ 3 7 1 0 0 0^ 4 8 1 0 0 0^ 5 9 1 0 0 0^ 5 10 2 0 0 0^ 7 11 2 0 0 0^ 8 12 1 0 0 0^ 9 13 1 0 0 0^ 12 14 1 0 0 0^ 14 15 1 0 0 0^ 14 16 1 0 0 0^ 15 17 1 0 0 0^ 27 28 2 0 0 0^ 27 29 1 0 0 0^M CHG 2 27 1 29 -1^M STY 1 1 SUP^M SLB 1 1 1^M SAL 1 3 27 28 29^M SBL 1 1 10^M SMT 1 O2N^M SBV 1 10 0.7100 0.4200^M END^^
Structure View
View